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89151-29-1 | Pyridine, 4-[1-(1,1-dioxido-1,2,5-thiadiazolidin-2-yl)ethyl]-
CAS No: 89151-29-1 Catalog No: AG003XAG MDL No:
Product Description
Catalog Number:
AG003XAG
Chemical Name:
Pyridine, 4-[1-(1,1-dioxido-1,2,5-thiadiazolidin-2-yl)ethyl]-
CAS Number:
89151-29-1
Molecular Formula:
C9H13N3O2S
Molecular Weight:
227.2834
IUPAC Name:
2-(1-pyridin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide
InChI:
InChI=1S/C9H13N3O2S/c1-8(9-2-4-10-5-3-9)12-7-6-11-15(12,13)14/h2-5,8,11H,6-7H2,1H3
InChI Key:
IYQOGVHMOOVHLZ-UHFFFAOYSA-N
SMILES:
CC(N1CCNS1(=O)=O)c1ccncc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.282g/mol
Monoisotopic Mass:
227.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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